NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
|
1-(3-{1-[2-(dimethylamino)ethyl]-1H-imidazol-2-yl}piperidin-1-yl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethan-1-one
|
|
|
IUPAC Traditional name
|
1-(3-{1-[2-(dimethylamino)ethyl]imidazol-2-yl}piperidin-1-yl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
|
|
|
Synonyms
|
N,N-dimethyl-2-[2-(1-{[(5-methyl-1,3,4-oxadiazol-2-yl)thio]acetyl}piperidin-3-yl)-1H-imidazol-1-yl]ethanamine
|
|
|
DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
供应商提供(Chembridge)
Acid pKa
|
18.706083
|
H Acceptors
|
5
|
H Donor
|
0
|
LogD (pH = 5.5)
|
-3.6149824
|
LogD (pH = 7.4)
|
-1.6595081
|
Log P
|
-0.13019872
|
Molar Refractivity
|
103.4578 cm3
|
Polarizability
|
38.925266 Å3
|
Polar Surface Area
|
80.29 Å2
|
Rotatable Bonds
|
7
|
Lipinski's Rule of Five
|
true
|
H Acceptors
|
6
|
H Donor
|
0
|
Log P
|
-0.04
|
LOG S
|
-3.23
|
Polar Surface Area
|
80.29 Å2
|
Rotatable Bonds
|
7
|
PROPERTIES
PROPERTIES
Bioassay(PubChem)
PATENTS
PATENTS
PubChem Patent
Google Patent